CID 343757

5-amino-4-nitroacenaphthene

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1CC2=CC(=C(C3=CC=CC1=C23)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O2/c13-12-9-3-1-2-7-4-5-8(11(7)9)6-10(12)14(15)16/h1-3,6H,4-5,13H2

InChIKey

VWJYDQVCIUABSV-UHFFFAOYSA-N

Compound name

4-nitro-1,2-dihydroacenaphthylen-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 214.07423 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.08151	142.1
[M+Na]+	237.06345	149.9
[M-H]-	213.06695	146.9
[M+NH4]+	232.10805	163.6
[M+K]+	253.03739	142.2
[M+H-H2O]+	197.07149	141.0
[M+HCOO]-	259.07243	166.1
[M+CH3COO]-	273.08808	185.8
[M+Na-2H]-	235.04890	150.5
[M]+	214.07368	140.2
[M]-	214.07478	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.